CID 9936114

Chembl3542412

Structural Information

Molecular Formula
C23H25F6N3O
SMILES
CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](C2=CC=CC=C2)N3CCNCC3
InChI
InChI=1S/C23H25F6N3O/c1-31(10-7-16-13-18(22(24,25)26)15-19(14-16)23(27,28)29)21(33)20(17-5-3-2-4-6-17)32-11-8-30-9-12-32/h2-6,13-15,20,30H,7-12H2,1H3/t20-/m0/s1
InChIKey
CCIZGCFBHMZVTA-FQEVSTJZSA-N
Compound name
(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

473.1902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.19748 199.6
[M+Na]+ 496.17942 202.9
[M+NH4]+ 491.22402 200.1
[M+K]+ 512.15336 199.4
[M-H]- 472.18292 194.7
[M+Na-2H]- 494.16487 200.9
[M]+ 473.18965 198.1
[M]- 473.19075 198.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.